Crystallography Open Database

Information card for entry 4320960

4320959 << 4320960 >> 4320961

Preview

Coordinates	4320960.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(CF3)2Bp]Cu(PPh3)2.0.5(hexane)
Formula	C49 H41 B Cu F12 N4 P2
Calculated formula	C49 H41 B Cu F12 N4 P2
Title of publication	Direct Synthesis of a Bis(pyrazolyl)boratocopper(I) Complex: Synthesis and Characterization of [H2B(3,5-(CF3)2Pz)2]Cu(PPh3)2 Displaying an Unusual Coordination Mode for a Poly(pyrazolyl)borate Ligand
Authors of publication	H. V. Rasika Dias; Hui-Ling Lu
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2246 - 2248
a	13.4865 ± 0.0019 Å
b	13.6724 ± 0.0012 Å
c	13.9087 ± 0.0014 Å
α	80.288 ± 0.008°
β	82.151 ± 0.009°
γ	75.677 ± 0.008°
Cell volume	2437.2 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179312 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/09.	4320960.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320960.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320960.cif
18282	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320960 via cif-deposit CGI script.	4320960.cif